1-(4-chloro-2,3-difluorophenyl)ethanol

C8H7ClF2O — CID 164892643

IUPAC1-(4-chloro-2,3-difluorophenyl)ethanol
SMILESCC(O)c1ccc(Cl)c(F)c1F
InChIInChI=1S/C8H7ClF2O/c1-4(12)5-2-3-6(9)8(11)7(5)10/h2-4,12H,1H3
InChIKeyPPWKAUYARVNWRO-UHFFFAOYSA-N
MW192.59 g/mol
LogP2.67
Rot. Bonds1

About 1-(4-chloro-2,3-difluorophenyl)ethanol

1-(4-chloro-2,3-difluorophenyl)ethanol (PubChem CID 164892643) has the molecular formula C8H7ClF2O and a molecular weight of 192.59 g/mol. Its IUPAC name is 1-(4-chloro-2,3-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-2,3-difluorophenyl)ethanol
PubChem CID164892643
Molecular FormulaC8H7ClF2O
Molecular Weight192.59 g/mol
Exact Mass192.02
IUPAC Name1-(4-chloro-2,3-difluorophenyl)ethanol
SMILESCC(O)c1ccc(Cl)c(F)c1F
InChIInChI=1S/C8H7ClF2O/c1-4(12)5-2-3-6(9)8(11)7(5)10/h2-4,12H,1H3
InChIKeyPPWKAUYARVNWRO-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.59
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712910
6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol
CID 117298062
1-(2,4-difluoro-3-methylphenyl)ethanol
CID 84654323
1-(2-chloro-3-fluoro-4-pyridinyl)ethanol
CID 155293845
1-(3-amino-2,4-dichlorophenyl)ethanol
CID 19833113
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
1-(2-chloro-4-fluoro-3-methylphenyl)ethanol
CID 130090893
1-[2-chloro-5-(difluoromethyl)phenyl]ethanol
CID 84674717
1-chloro-2,5-difluoro-4-methylbenzene;1-chloro-2,3-difluoro-4-propan-2-ylbenzene;ethane
CID 166123385
1-(5-chloro-2,4-difluorophenyl)ethanol
CID 117283331
2-fluoro-6-(1-hydroxyethyl)-3-methylphenol
CID 117276805
2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol
CID 117276916

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,3-difluorophenyl)ethanol?
The IUPAC name of 1-(4-chloro-2,3-difluorophenyl)ethanol (CID 164892643) is 1-(4-chloro-2,3-difluorophenyl)ethanol.
What is the SMILES notation for 1-(4-chloro-2,3-difluorophenyl)ethanol?
The canonical SMILES for 1-(4-chloro-2,3-difluorophenyl)ethanol is CC(O)c1ccc(Cl)c(F)c1F.
What is the InChIKey of 1-(4-chloro-2,3-difluorophenyl)ethanol?
The InChIKey is PPWKAUYARVNWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O/c1-4(12)5-2-3-6(9)8(11)7(5)10/h2-4,12H,1H3.
What are the key properties of 1-(4-chloro-2,3-difluorophenyl)ethanol?
1-(4-chloro-2,3-difluorophenyl)ethanol has a molecular weight of 192.59 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,3-difluorophenyl)ethanol is sourced from PubChem (CID 164892643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).